#!/bin/bash

calj_gmx_template=/home/cocktail/wanghan/study/optimal.control/dumbbell/test.systems/sys
calj_tool_dir=/home/cocktail/wanghan/study/optimal.control/dumbbell/tools
calj_init_conf=/home/cocktail/wanghan/study/optimal.control/dumbbell/results/init.conf.0.3to1.1

calj_init_k=16000
calj_init_posi1=0.5
calj_init_posi2=0.7
calj_init_posi3=0.9
calj_init_j_k=3.0
calj_init_j_phi=0.0
calj_init_j_tab=./table.j.init.xvg

calj_tab_bin=0.001
calj_stat_bin=0.05
calj_table_start=0.0
calj_table_end=1.5

calj_num_iter=10
calj_num_branch=10
calj_dt=0.001
calj_f=1.0
#calj_xi=1.0

calj_traj_length=100
calj_frame_feq=0.001
calj_recycle_dt=0.01
calj_log_feq=0.1
calj_ener_feq=0.1

calj_gamma=800
calj_meta_center=0.84
calj_meta_width=0.01
calj_grad_bond_dx=0.0001
